4-Chloroacetyloxy-5-Nitro-4,5-Dihydrothymine
[CAS# 82531-54-2]

Identification

• Name: 4-Chloroacetyloxy-5-Nitro-4,5-Dihydrothymine
• Synonyms: (5-Methyl-5-Nitro-2,6-Dioxo-Hexahydropyrimidin-4-Yl) 2-Chloroacetate; 2-Chloroacetic Acid (5-Methyl-5-Nitro-2,6-Dioxo-4-Hexahydropyrimidinyl) Ester; 2-Chloroacetic Acid (2,6-Diketo-5-Methyl-5-Nitro-Hexahydropyrimidin-4-Yl) Ester
• Molecular Formula: C₇H₈ClN₃O₆
• Molecular Weight: 265.61
• CAS Registry Number: 82531-54-2
• SMILES: C(Cl)C(OC1NC(=O)NC(=O)C1([N+]([O-])=O)C)=O
• InChI: 1S/C7H8ClN3O6/c1-7(11(15)16)4(13)9-6(14)10-5(7)17-3(12)2-8/h5H,2H2,1H3,(H2,9,10,13,14)
• InChIKey: ZXKILZLLJCXOQV-UHFFFAOYSA-N

Properties

• Density: 1.621g/cm³ (Cal.)